Geometry & MOs

Info

ID:	336622
PubChem CID:	127255629
Reduced:	FNO2C22H30 (1)
Stoich.:	ABC2D22E30 (1)
Weight, g/mol:	426.122537
ΔH_f, kcal/mol:	-130.53
Dipole, Da:	15.01
IP(EA), eV:	-7.65(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[5-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)furan-3-yl]propan-2-olate

Drug info:

PubChemData

Smile

CCCC\1=C(NC(=C(/C1=C\2/C=CC(=CC2=O)F)[C@@H](C)O)C(C)C)C(C)C

DOS

IR

Vibrations